N-[2-[(2-methoxy-4-pyridinyl)methylamino]-2-oxoethyl]benzamide

C16H17N3O3 — CID 25343533

IUPACN-[2-[(2-methoxy-4-pyridinyl)methylamino]-2-oxoethyl]benzamide
SMILESCOc1cc(CNC(=O)CNC(=O)c2ccccc2)ccn1
InChIInChI=1S/C16H17N3O3/c1-22-15-9-12(7-8-17-15)10-18-14(20)11-19-16(21)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyLORYETPQCUXQKY-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.14
Rot. Bonds6

About N-[2-[(2-methoxy-4-pyridinyl)methylamino]-2-oxoethyl]benzamide

N-[2-[(2-methoxy-4-pyridinyl)methylamino]-2-oxoethyl]benzamide (PubChem CID 25343533) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[2-[(2-methoxy-4-pyridinyl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2-methoxy-4-pyridinyl)methylamino]-2-oxoethyl]benzamide
PubChem CID25343533
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[2-[(2-methoxy-4-pyridinyl)methylamino]-2-oxoethyl]benzamide
SMILESCOc1cc(CNC(=O)CNC(=O)c2ccccc2)ccn1
InChIInChI=1S/C16H17N3O3/c1-22-15-9-12(7-8-17-15)10-18-14(20)11-19-16(21)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyLORYETPQCUXQKY-UHFFFAOYSA-N
XLogP1.14
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420
N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide
CID 18167302
N-[1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 86919506
2-(4-benzoylphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167317
N-[(2-methoxy-4-pyridinyl)methyl]-2-naphthalen-2-ylacetamide
CID 18167281
3-amino-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62072661
N-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide
CID 62995403
N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46466541
N-[(2-methoxy-4-pyridinyl)methyl]-2-(2-nitrophenyl)acetamide
CID 18155549
2-(2,6-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167318
4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]naphthalene-1-carboxamide
CID 18277956
4-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62991671

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methoxy-4-pyridinyl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(2-methoxy-4-pyridinyl)methylamino]-2-oxoethyl]benzamide (CID 25343533) is N-[2-[(2-methoxy-4-pyridinyl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(2-methoxy-4-pyridinyl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(2-methoxy-4-pyridinyl)methylamino]-2-oxoethyl]benzamide is COc1cc(CNC(=O)CNC(=O)c2ccccc2)ccn1.
What is the InChIKey of N-[2-[(2-methoxy-4-pyridinyl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is LORYETPQCUXQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-22-15-9-12(7-8-17-15)10-18-14(20)11-19-16(21)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-[(2-methoxy-4-pyridinyl)methylamino]-2-oxoethyl]benzamide?
N-[2-[(2-methoxy-4-pyridinyl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 299.33 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methoxy-4-pyridinyl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 25343533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).